@MOLECULE **** 41 42 1 0 0 SMALL USER_CHARGES @ATOM 1 C 12.2095 -7.3823 92.9469 C.ar 1 **** 0.0000 2 C 11.3130 -8.0848 92.1417 C.ar 1 **** 0.0000 3 C 9.9393 -7.9229 92.3220 C.ar 1 **** 0.0000 4 C 9.4623 -7.0586 93.3074 C.ar 1 **** 0.0000 5 C 10.3588 -6.3563 94.1126 C.ar 1 **** 0.0000 6 C 11.7325 -6.5181 93.9323 C.ar 1 **** 0.0000 7 C 9.8469 -5.4288 95.1703 C.3 1 **** 0.0000 8 C 10.7578 -4.2302 95.2731 C.2 1 **** 0.0000 9 N 11.8546 -4.1322 94.4597 N.am 1 **** 0.0000 10 O 10.5192 -3.3571 96.0731 O.2 1 **** 0.0000 11 C 12.7299 -2.9804 94.5585 C.3 1 **** 0.0000 12 C 12.2489 -1.7384 93.7988 C.2 1 **** 0.0000 13 N 13.6096 -1.5904 93.2203 N.am 1 **** 0.0000 14 C 13.9188 -2.9915 93.5951 C.3 1 **** 0.0000 15 H 12.8600 -2.9882 95.6638 H 1 **** 0.0000 16 C 13.5448 -1.4798 91.7521 C.3 1 **** 0.0000 17 C 14.1852 -2.6860 91.0818 C.3 1 **** 0.0000 18 O 11.2059 -1.1356 93.7088 O.2 1 **** 0.0000 19 C 13.6592 -2.8644 89.6637 C.3 1 **** 0.0000 20 C 15.6970 -2.5603 90.9471 C.3 1 **** 0.0000 21 S 13.6830 -4.0596 92.1329 S.3 1 **** 0.0000 22 H 14.9130 -3.3191 93.9732 H 1 **** 0.0000 23 H 12.4785 -1.4147 91.4398 H 1 **** 0.0000 24 C 14.2988 -0.2421 91.3316 C.2 1 **** 0.0000 25 O 15.5156 -0.1316 91.5956 O.co2 1 **** 0.0000 26 O 13.7066 0.6726 90.7192 O.co2 1 **** -1.0000 27 H 13.2928 -7.5099 92.8047 H 1 **** 0.0000 28 H 11.6892 -8.7664 91.3646 H 1 **** 0.0000 29 H 9.2322 -8.4768 91.6870 H 1 **** 0.0000 30 H 8.3790 -6.9310 93.4496 H 1 **** 0.0000 31 H 12.4396 -5.9642 94.5672 H 1 **** 0.0000 32 H 8.8204 -5.0921 94.9025 H 1 **** 0.0000 33 H 9.8208 -5.9597 96.1481 H 1 **** 0.0000 34 H 12.0545 -4.8636 93.7895 H 1 **** 0.0000 35 H 14.5110 -2.8525 88.9473 H 1 **** 0.0000 36 H 13.1240 -3.8373 89.5867 H 1 **** 0.0000 37 H 12.9587 -2.0343 89.4208 H 1 **** 0.0000 38 H 15.9817 -2.6329 89.8736 H 1 **** 0.0000 39 H 16.0244 -1.5763 91.3514 H 1 **** 0.0000 40 H 16.1895 -3.3792 91.5177 H 1 **** 0.0000 41 Na 13.0648 -1.4154 86.6798 Na 1 **** 1.0000 @BOND 1 1 2 1 2 1 6 2 3 1 27 1 4 2 3 2 5 2 28 1 6 3 4 1 7 3 29 1 8 4 5 2 9 4 30 1 10 5 6 1 11 5 7 1 12 6 31 1 13 7 8 1 14 7 32 1 15 7 33 1 16 8 9 1 17 8 10 2 18 9 11 1 19 9 34 1 20 11 12 1 21 11 14 1 22 11 15 1 23 12 13 1 24 12 18 2 25 13 14 1 26 13 16 1 27 14 21 1 28 14 22 1 29 16 17 1 30 16 23 1 31 16 24 1 32 17 19 1 33 17 20 1 34 17 21 1 35 19 35 1 36 19 36 1 37 19 37 1 38 20 38 1 39 20 39 1 40 20 40 1 41 24 25 2 42 24 26 1